cyc-C4H4+

Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   F
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Txx = 46500 ± 1000 gas Kreile, Munzel, et al., 1986

State:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Txx = 41600 ± 1000 gas Kreile, Munzel, et al., 1986

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Txx = 32000 ± 1000 gas Kreile, Munzel, et al., 1986

State:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
Txx = 26300 ± 1000 gas Kreile, Munzel, et al., 1986

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
ag 1129 ± 40 gas PE Kreile, Munzel, et al., 1986
CH stretch 3117 ± 5 A gas PF Relph, Bopp, et al., 2009
CC stretch 1450 ± 5 A gas PF Relph, Bopp, et al., 2009
CH bend 1284 ± 5 A gas PF Relph, Bopp, et al., 2009

Additional references: Jacox, 1994, page 377; Jacox, 1998, page 337; Kohn and Chen, 1993

Notes

xxEnergy separation between the band maxima of both the excited state and the ground state of a molecular cation, derived from a photoelectron spectrum.
A0~1 cm-1 uncertainty

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kreile, Munzel, et al., 1986
Kreile, J.; Munzel, N.; Schweig, A.; Specht, H., UV Photoelectron spectrum of cyclobutadiene. Free cyclobutadiene stable up to high temperatures, Chem. Phys. Lett., 1986, 124, 140. [all data]

Relph, Bopp, et al., 2009
Relph, R.A.; Bopp, J.C.; Roscioli, J.R.; Johnson, M.A., Structural characterization of (C[sub 2]H[sub 2])[sub 1--6]+] cluster ions by vibrational predissociation spectroscopy, J. Chem. Phys., 2009, 131, 11, 114305, https://doi.org/10.1063/1.3212595 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Kohn and Chen, 1993
Kohn, D.W.; Chen, P., Vibrational structure in the photoelectron spectrum of cyclobutadiene as a probe of structure, J. Am. Chem. Soc., 1993, 115, 2844. [all data]

Notes

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